(1-methoxy-4-nitro-1-oxidanylidene-3-phenyl-butan-2-yl)-triphenyl-phosphanium

Systemtic Name: (1-methoxy-4-nitro-1-oxidanylidene-3-phenyl-butan-2-yl)-triphenyl-phosphanium Openeye Name: (1-methoxycarbonyl-3-nitro-2-phenyl-propyl)-triphenyl-phosphonium CAS Name: (1-methoxy-4-nitro-1-oxo-3-phenylbutan-2-yl)-triphenylphosphonium IUPAC Name: (1-methoxy-4-nitro-1-oxo-3-phenylbutan-2-yl)-triphenylphosphanium Traditional Name: (1-carbomethoxy-3-nitro-2-phenyl-propyl)-triphenyl-phosphonium Formula: C29H27NO4P+ MolecularWeight: 484.502741

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C(C(C[N+](=O)[O-])C1=CC=CC=C1)[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H27NO4P/c1-34-29(31)28(27(22-30(32)33)23-14-6-2-7-15-23)35(24-16-8-3-9-17-24,25-18-10-4-11-19-25)26-20-12-5-13-21-26/h2-21,27-28H,22H2,1H3/q+1